SCHEMBL17616619

SCHEMBL17616619

CC(=O)c1ccccc1COc1ccc(C)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 4/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
FOLH1 Q04609 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 2/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPY1R P25929 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17616656 0.89 FOLH1 (0.59) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL17616657 0.86 MRGPRX4 (0.51) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL17616664 0.85 L3MBTL1 (0.49) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL17616662 0.84 MRGPRX4 (0.60) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL17616658 0.81 FFAR1 (0.47) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL18749674 0.79 SMN1; SMN2 (0.48) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL18178465 0.78 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL18748827 0.78 NPC1 (0.52) MAPTSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL18749757 0.78 NPC1 (0.51) MAPTSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL18178061 0.78 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1HTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 MAPT 2985/4885SMN1; SMN2 3877/4885L3MBTL1 170/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MAPT 3398/4885SMN1; SMN2 2650/4885L3MBTL1 458/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.